F076-0899 Screening compound: 1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

F076-0899 Screening compound: 1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one
F076-0899 Screening compound: 1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-0899
1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F076-0899

Molecular Formula

C22H16N4O7 (C22 H16 N4 O7)

Compound Name

1-[5-(3,5-dinitrophenyl)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

IUPAC name

1-[5-(35-dinitrophenyl)-2-(3-phenoxyphenyl)-23-dihydro-134-oxadiazol-3-yl]ethan-1-one

SMILES

CC(N1N=C(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)OC1c1cc(Oc2ccccc2)ccc1)=O

InChI

InChI=1S/C22H16N4O7/c1-14(27)24-22(15-6-5-9-20(12-15)32-19-7-3-2-4-8-19)33-21(23-24)16-10-17(25(28)29)13-18(11-16)26(30)31/h2-13,22H,1H3/t22-/m1/s1

InChI Key

VKXOTWMLWOGJQJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27099570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.71

Polar Surface Area

108.762

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with F076-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-0899?
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What is the minimum amount of F076-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-0899
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F076-0899 available by request